Compound Detail
CHEMBL306917
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C=CC[C@H](NC(=O)CNS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CC=C(c2ccccc2)CC1)[C@@H](O)[C@@H](O)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL306917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXLWZNOOPSOVOA-FTOZNQQUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
620.8
MW (Da)
1.74
ALogP
7
HBA
5
HBD
157.3
PSA (Ų)
0.18
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Renin CHEMBL286 | IC50 | 7.73 | 7.73 | 18.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Renin | IC50 | = | 18.5 | nM | 7.73 | The compound was evaluated for inhibitory activity against monkey plasma renin. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81029-5 | Renin | 1 |
Data from ChEMBL 36 via Core Engine